==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 11-FEB-02 1L0J . COMPND 2 MOLECULE: LYSOZYME; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROBACTERIA PHAGE T4; . AUTHOR N.C.GASSNER,W.A.BAASE,B.H.MOOERS,R.D.BUSAM,L.H.WEAVER, . 162 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8739.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 119 73.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 12 7.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 1.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 7 4.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 13 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 85 52.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 0 1 1 0 1 2 0 0 1 1 0 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 1 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 1 A M 0 0 82 0, 0.0 2,-0.3 0, 0.0 157,-0.0 0.000 360.0 360.0 360.0 149.7 43.6 -2.0 9.1 2 2 A N > - 0 0 65 156,-0.0 4,-2.7 95,-0.0 5,-0.3 -0.930 360.0 -76.5-157.1-179.8 40.3 -0.7 10.6 3 3 A I H > S+ 0 0 26 -2,-0.3 4,-2.9 1,-0.2 5,-0.3 0.880 124.9 51.1 -58.3 -40.0 38.2 2.3 11.2 4 4 A F H > S+ 0 0 83 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.939 113.8 41.8 -65.1 -48.4 40.3 3.5 14.1 5 5 A E H > S+ 0 0 90 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.831 113.8 55.8 -65.3 -34.8 43.6 3.3 12.2 6 6 A M H X S+ 0 0 0 -4,-2.7 4,-1.9 1,-0.2 3,-0.3 0.948 111.0 40.1 -65.2 -48.5 42.0 4.7 9.2 7 7 A L H X S+ 0 0 0 -4,-2.9 4,-2.5 -5,-0.3 5,-0.4 0.856 108.5 61.3 -71.8 -29.3 40.8 7.8 10.8 8 8 A R H X S+ 0 0 108 -4,-1.7 4,-1.3 -5,-0.3 -1,-0.2 0.860 108.5 46.8 -65.1 -25.9 44.0 8.3 12.9 9 9 A I H < S+ 0 0 84 -4,-1.3 -2,-0.2 -3,-0.3 -1,-0.2 0.920 114.5 45.1 -77.5 -44.8 45.8 8.5 9.6 10 10 A D H < S+ 0 0 21 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.1 0.839 125.9 29.9 -64.8 -37.6 43.2 11.0 8.0 11 11 A E H < S- 0 0 44 -4,-2.5 19,-0.3 1,-0.2 -1,-0.2 0.661 91.1-154.0-100.0 -26.9 43.0 13.3 11.1 12 12 A G < - 0 0 21 -4,-1.3 2,-0.3 -5,-0.4 -1,-0.2 -0.219 26.3 -84.3 74.2-175.2 46.4 13.0 12.7 13 13 A L + 0 0 43 16,-0.1 2,-0.4 -4,-0.1 16,-0.2 -0.969 44.2 169.8-138.6 123.3 46.9 13.6 16.5 14 14 A R E -A 28 0A 128 14,-1.7 14,-2.6 -2,-0.3 4,-0.1 -1.000 19.9-163.2-136.6 130.6 47.4 17.1 18.1 15 15 A L E S+ 0 0 63 -2,-0.4 43,-1.9 12,-0.2 2,-0.3 0.469 73.3 64.7 -95.0 -4.1 47.4 17.7 21.8 16 16 A K E S-C 57 0B 132 41,-0.2 41,-0.2 12,-0.1 12,-0.2 -0.881 99.9 -89.4-116.6 149.5 46.9 21.5 21.7 17 17 A I E + 0 0 27 39,-1.8 2,-0.3 -2,-0.3 10,-0.2 -0.319 57.3 171.0 -50.5 141.3 43.9 23.2 20.3 18 18 A Y E -A 26 0A 32 8,-3.5 8,-3.0 -4,-0.1 2,-0.5 -0.861 35.4-103.5-143.7 172.3 44.3 23.9 16.5 19 19 A K E -A 25 0A 132 -2,-0.3 6,-0.2 6,-0.2 8,-0.0 -0.846 34.8-139.3 -98.9 134.6 42.3 25.1 13.6 20 20 A D > - 0 0 50 4,-3.3 3,-1.2 -2,-0.5 -1,-0.1 -0.043 41.2 -77.8 -76.7-163.6 41.1 22.6 11.2 21 21 A T T 3 S+ 0 0 113 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.667 136.3 47.6 -70.7 -18.1 41.0 22.9 7.4 22 22 A E T 3 S- 0 0 81 2,-0.1 -1,-0.3 0, 0.0 -3,-0.0 0.420 124.8-104.8 -98.5 -3.7 37.8 25.1 7.7 23 23 A G S < S+ 0 0 34 -3,-1.2 2,-0.3 1,-0.3 -2,-0.1 0.588 73.9 143.9 87.3 23.9 39.5 27.2 10.4 24 24 A Y - 0 0 78 1,-0.1 -4,-3.3 9,-0.0 -1,-0.3 -0.743 57.5-102.6 -99.2 145.6 37.5 25.6 13.3 25 25 A Y E +AB 19 34A 33 9,-0.8 8,-3.3 11,-0.4 9,-1.3 -0.482 54.0 158.1 -66.9 130.8 38.9 24.9 16.7 26 26 A T E -AB 18 32A 4 -8,-3.0 -8,-3.5 -2,-0.3 2,-0.3 -0.881 19.4-171.8-145.1 167.6 39.7 21.3 17.1 27 27 A I E > + B 0 31A 0 4,-1.5 4,-1.9 -2,-0.3 2,-0.2 -0.978 52.2 9.2-155.8 167.6 41.9 19.1 19.2 28 28 A G E 4 S-A 14 0A 0 -14,-2.6 -14,-1.7 -2,-0.3 2,-0.8 -0.504 122.0 -8.2 68.8-133.0 43.0 15.4 19.5 29 29 A I T 4 S- 0 0 3 34,-0.4 -1,-0.2 -2,-0.2 -17,-0.1 -0.687 126.4 -54.3-101.8 67.0 42.0 13.2 16.6 30 30 A G T 4 S+ 0 0 15 -2,-0.8 2,-0.9 -19,-0.3 -2,-0.2 0.786 84.4 158.7 72.4 28.8 39.8 15.5 14.7 31 31 A H E < -B 27 0A 33 -4,-1.9 -4,-1.5 32,-0.0 -1,-0.2 -0.695 34.4-141.1 -90.3 111.6 37.4 16.3 17.5 32 32 A L E -B 26 0A 65 -2,-0.9 -6,-0.3 -6,-0.2 3,-0.1 -0.467 17.8-173.7 -73.7 130.2 35.7 19.6 16.7 33 33 A L E - 0 0 13 -8,-3.3 2,-0.3 1,-0.4 -7,-0.2 0.855 59.2 -29.1 -91.1 -40.0 35.3 21.9 19.6 34 34 A T E -B 25 0A 28 -9,-1.3 -9,-0.8 2,-0.1 -1,-0.4 -0.925 36.5-132.4-171.9 155.0 33.3 24.6 18.2 35 35 A K S S+ 0 0 150 -2,-0.3 -1,-0.1 -11,-0.2 7,-0.0 0.547 76.4 104.8 -93.9 -9.5 32.4 26.5 15.1 36 36 A S S S- 0 0 46 1,-0.1 -11,-0.4 2,-0.1 -2,-0.1 -0.307 75.4-127.3 -75.6 155.1 32.8 29.9 16.8 37 37 A P S S+ 0 0 119 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 0.527 77.6 103.1 -75.9 -10.8 35.7 32.2 16.4 38 38 A S > - 0 0 50 1,-0.2 4,-1.9 2,-0.0 -2,-0.1 -0.720 53.9-162.4 -86.1 127.0 36.4 32.5 20.2 39 39 A L H > S+ 0 0 70 -2,-0.5 4,-2.9 2,-0.2 5,-0.2 0.746 96.3 58.2 -71.1 -23.8 39.3 30.5 21.5 40 40 A N H > S+ 0 0 117 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.942 104.1 47.5 -72.3 -49.4 37.7 31.1 24.8 41 41 A A H > S+ 0 0 34 1,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.921 113.1 51.2 -55.5 -43.3 34.6 29.5 23.7 42 42 A A H X S+ 0 0 0 -4,-1.9 4,-2.8 1,-0.2 -2,-0.2 0.919 109.8 49.6 -61.4 -43.8 36.8 26.7 22.4 43 43 A K H X S+ 0 0 60 -4,-2.9 4,-2.0 2,-0.2 11,-0.2 0.897 110.8 49.0 -66.9 -34.9 38.7 26.3 25.7 44 44 A S H X S+ 0 0 68 -4,-2.5 4,-2.4 2,-0.2 5,-0.3 0.961 110.1 50.4 -68.8 -47.0 35.5 26.2 27.6 45 45 A E H X S+ 0 0 68 -4,-2.5 4,-1.8 1,-0.2 -2,-0.2 0.920 109.9 52.4 -56.5 -42.9 34.1 23.5 25.3 46 46 A L H X S+ 0 0 0 -4,-2.8 4,-1.9 1,-0.2 5,-0.3 0.916 109.1 49.0 -62.3 -36.6 37.3 21.5 25.8 47 47 A D H X>S+ 0 0 34 -4,-2.0 4,-2.1 1,-0.2 5,-1.0 0.915 109.2 50.8 -69.2 -41.1 37.0 21.7 29.5 48 48 A K H <5S+ 0 0 144 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.850 112.7 48.8 -60.6 -36.7 33.3 20.6 29.5 49 49 A A H <5S+ 0 0 45 -4,-1.8 -2,-0.2 -5,-0.3 -1,-0.2 0.873 118.7 35.2 -74.0 -35.0 34.3 17.6 27.3 50 50 A I H <5S- 0 0 37 -4,-1.9 -2,-0.2 2,-0.3 -1,-0.2 0.706 102.5-128.9 -93.6 -25.4 37.3 16.4 29.3 51 51 A G T <5S+ 0 0 65 -4,-2.1 2,-0.3 -5,-0.3 -3,-0.2 0.800 74.6 75.6 82.2 29.6 35.8 17.2 32.6 52 52 A R S - 0 0 10 -2,-1.0 3,-0.8 -11,-0.2 -1,-0.2 0.780 32.0-147.1 -83.9 -34.5 42.8 21.8 30.6 55 55 A N T 3 S- 0 0 124 1,-0.2 3,-0.1 -12,-0.2 -2,-0.1 0.848 73.2 -55.7 61.4 34.7 44.0 25.2 29.6 56 56 A G T 3 S+ 0 0 6 -13,-0.2 -39,-1.8 1,-0.2 2,-0.4 0.592 119.5 96.6 78.7 9.9 43.9 24.1 25.9 57 57 A V B < +C 16 0B 48 -3,-0.8 2,-0.3 -41,-0.2 -41,-0.2 -0.995 46.3 178.4-133.7 134.9 46.1 21.0 26.3 58 58 A I - 0 0 5 -43,-1.9 2,-0.1 -2,-0.4 -30,-0.1 -0.860 27.9-107.6-127.5 170.0 45.1 17.4 26.8 59 59 A T > - 0 0 66 -2,-0.3 4,-2.4 1,-0.1 5,-0.2 -0.493 31.7-108.2 -92.9 171.7 47.0 14.1 27.2 60 60 A K H > S+ 0 0 117 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.888 120.6 53.1 -57.3 -43.3 47.2 11.3 24.6 61 61 A D H > S+ 0 0 123 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.912 107.9 49.6 -63.6 -43.6 44.9 9.2 26.7 62 62 A E H > S+ 0 0 37 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.897 109.6 53.6 -60.2 -41.0 42.3 11.9 26.8 63 63 A A H X S+ 0 0 0 -4,-2.4 4,-1.9 1,-0.2 -34,-0.4 0.911 109.0 47.9 -56.2 -49.3 42.6 12.3 23.0 64 64 A E H X S+ 0 0 78 -4,-2.3 4,-2.5 2,-0.2 -1,-0.2 0.824 107.7 55.1 -61.9 -36.7 41.9 8.7 22.5 65 65 A K H X S+ 0 0 142 -4,-1.7 4,-2.4 1,-0.2 5,-0.2 0.983 110.2 46.3 -66.8 -42.4 39.0 8.7 24.8 66 66 A L H X S+ 0 0 3 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.863 111.4 52.7 -58.0 -43.4 37.4 11.5 22.8 67 67 A F H X S+ 0 0 13 -4,-1.9 4,-2.6 -5,-0.2 5,-0.3 0.956 107.3 51.4 -64.8 -40.5 38.2 9.7 19.6 68 68 A N H X S+ 0 0 100 -4,-2.5 4,-2.3 1,-0.3 5,-0.2 0.938 111.2 47.5 -56.7 -50.0 36.5 6.5 20.9 69 69 A Q H X S+ 0 0 97 -4,-2.4 4,-2.0 -5,-0.2 -1,-0.3 0.888 112.0 50.9 -60.7 -39.2 33.4 8.4 21.8 70 70 A D H X S+ 0 0 33 -4,-2.0 4,-1.6 -5,-0.2 -2,-0.2 0.854 108.7 48.6 -70.9 -34.9 33.4 10.1 18.4 71 71 A V H X S+ 0 0 6 -4,-2.6 4,-2.4 2,-0.2 5,-0.2 0.941 112.4 51.0 -67.9 -45.3 33.7 7.0 16.3 72 72 A D H X S+ 0 0 98 -4,-2.3 4,-2.3 -5,-0.3 5,-0.2 0.924 109.1 49.5 -54.2 -44.9 30.9 5.5 18.4 73 73 A A H X S+ 0 0 61 -4,-2.0 4,-1.9 -5,-0.2 -1,-0.2 0.835 108.5 54.0 -62.1 -37.8 28.7 8.5 17.9 74 74 A A H X S+ 0 0 10 -4,-1.6 4,-1.6 2,-0.2 -2,-0.2 0.957 109.7 47.8 -63.2 -49.5 29.3 8.4 14.1 75 75 A V H X S+ 0 0 31 -4,-2.4 4,-2.0 1,-0.2 3,-0.3 0.917 114.6 44.5 -57.0 -51.4 28.2 4.8 13.9 76 76 A R H X S+ 0 0 116 -4,-2.3 4,-1.7 1,-0.2 -1,-0.2 0.838 107.6 59.5 -69.3 -29.7 25.1 5.3 15.9 77 77 A G H < S+ 0 0 4 -4,-1.9 4,-0.4 -5,-0.2 -1,-0.2 0.896 107.6 46.3 -59.7 -42.0 24.4 8.4 13.9 78 78 A I H >< S+ 0 0 0 -4,-1.6 3,-1.1 -3,-0.3 7,-0.6 0.939 111.6 50.7 -58.5 -52.6 24.3 6.3 10.8 79 79 A L H 3< S+ 0 0 54 -4,-2.0 -2,-0.2 1,-0.3 -1,-0.2 0.805 111.7 49.1 -62.8 -27.6 22.1 3.6 12.3 80 80 A R T 3< S+ 0 0 183 -4,-1.7 2,-0.6 -5,-0.2 -1,-0.3 0.533 92.5 91.0 -87.2 -15.0 19.6 6.1 13.5 81 81 A N <> - 0 0 13 -3,-1.1 4,-2.7 -4,-0.4 -4,-0.0 -0.753 67.9-148.3 -94.0 128.0 19.4 7.8 10.2 82 82 A A T 4 S+ 0 0 85 -2,-0.6 -1,-0.1 1,-0.2 -4,-0.0 0.766 94.3 41.0 -65.4 -29.0 16.6 6.5 8.0 83 83 A K T > S+ 0 0 126 2,-0.1 4,-0.6 1,-0.1 -1,-0.2 0.785 120.1 44.1 -86.4 -34.1 18.3 7.2 4.6 84 84 A M H >> S+ 0 0 0 -6,-0.2 4,-2.6 1,-0.1 3,-0.7 0.913 97.4 68.0 -79.1 -45.2 21.7 6.1 5.7 85 85 A K H 3X S+ 0 0 83 -4,-2.7 4,-2.7 -7,-0.6 5,-0.2 0.861 101.1 47.6 -40.5 -53.9 21.1 2.9 7.7 86 86 A P H 3> S+ 0 0 56 0, 0.0 4,-1.0 0, 0.0 -1,-0.2 0.844 112.7 50.6 -65.6 -28.6 19.9 0.8 4.7 87 87 A V H X< S+ 0 0 4 -3,-0.7 3,-0.5 -4,-0.6 4,-0.4 0.959 112.9 44.8 -68.1 -52.9 22.8 1.9 2.7 88 88 A Y H >< S+ 0 0 28 -4,-2.6 3,-1.1 1,-0.2 -1,-0.2 0.873 111.6 53.8 -58.2 -40.7 25.3 1.1 5.4 89 89 A D H 3< S+ 0 0 71 -4,-2.7 -1,-0.2 -5,-0.3 -2,-0.2 0.777 102.5 59.4 -69.1 -21.4 23.6 -2.3 6.0 90 90 A S T << S+ 0 0 37 -4,-1.0 2,-0.3 -3,-0.5 -1,-0.3 0.553 96.5 80.5 -82.3 -12.5 23.9 -3.3 2.4 91 91 A M S < S- 0 0 8 -3,-1.1 2,-0.0 -4,-0.4 31,-0.0 -0.678 77.2-111.6 -98.6 166.0 27.6 -3.0 2.3 92 92 A D > - 0 0 58 -2,-0.3 4,-2.2 1,-0.1 5,-0.2 -0.256 44.4 -93.8 -82.5 175.3 30.6 -5.0 3.3 93 93 A A H > S+ 0 0 76 1,-0.2 4,-1.6 2,-0.2 -1,-0.1 0.778 118.7 51.9 -62.9 -40.0 32.9 -4.1 6.2 94 94 A V H > S+ 0 0 24 62,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.946 113.4 44.1 -65.1 -48.6 35.6 -2.1 4.2 95 95 A R H > S+ 0 0 31 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.851 107.2 59.1 -67.0 -37.3 33.1 0.1 2.6 96 96 A R H X S+ 0 0 77 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.941 104.0 53.8 -53.4 -44.0 31.2 0.6 5.8 97 97 A A H X S+ 0 0 7 -4,-1.6 4,-2.3 1,-0.2 -2,-0.2 0.884 103.8 54.6 -56.5 -41.4 34.4 2.0 7.2 98 98 A A H X S+ 0 0 0 -4,-1.6 4,-1.9 1,-0.2 -1,-0.2 0.886 109.7 49.1 -59.5 -40.2 34.5 4.4 4.2 99 99 A M H X S+ 0 0 1 -4,-1.9 4,-2.1 1,-0.2 -2,-0.2 0.899 107.7 50.7 -66.5 -43.5 31.1 5.6 5.2 100 100 A I H X S+ 0 0 10 -4,-2.4 4,-3.5 2,-0.2 5,-0.2 0.927 107.5 56.0 -58.8 -47.6 31.9 6.1 8.8 101 101 A N H X S+ 0 0 0 -4,-2.3 4,-2.3 1,-0.2 5,-0.2 0.932 108.5 48.2 -48.5 -49.5 35.0 8.2 7.8 102 102 A M H X S+ 0 0 5 -4,-1.9 4,-2.8 2,-0.2 5,-0.3 0.942 113.4 45.6 -58.5 -49.0 32.7 10.5 5.8 103 103 A V H X S+ 0 0 8 -4,-2.1 4,-3.0 2,-0.2 -2,-0.2 0.938 110.5 54.9 -61.2 -43.3 30.2 10.9 8.6 104 104 A F H < S+ 0 0 31 -4,-3.5 -1,-0.2 1,-0.2 -2,-0.2 0.955 115.8 37.8 -56.1 -43.8 32.9 11.5 11.1 105 105 A Q H < S+ 0 0 55 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.865 131.2 25.0 -77.6 -40.6 34.4 14.4 9.0 106 106 A M H X S- 0 0 46 -4,-2.8 4,-0.9 -5,-0.2 -3,-0.2 0.585 102.3-118.5-110.5 -7.4 31.3 15.9 7.8 107 107 A G H X - 0 0 27 -4,-3.0 4,-2.0 -5,-0.3 5,-0.2 0.143 36.2 -77.4 84.3 153.7 28.5 15.1 10.2 108 108 A E H > S+ 0 0 76 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.692 131.1 54.3 -54.0 -37.3 25.3 13.2 9.7 109 109 A T H > S+ 0 0 121 2,-0.2 4,-0.9 -3,-0.1 -1,-0.2 0.959 105.7 46.0 -56.7 -72.1 24.0 16.2 8.1 110 110 A G H >< S+ 0 0 34 -4,-0.9 3,-1.1 1,-0.2 -2,-0.2 0.922 116.8 47.7 -44.1 -57.1 26.6 16.8 5.3 111 111 A V H >< S+ 0 0 1 -4,-2.0 3,-1.2 1,-0.2 -1,-0.2 0.730 99.8 61.4 -61.4 -38.4 26.6 13.0 4.4 112 112 A A H 3< S+ 0 0 14 -4,-1.4 -1,-0.2 1,-0.2 -2,-0.2 0.797 95.6 68.4 -62.7 -18.1 22.8 12.5 4.1 113 113 A G T << S+ 0 0 66 -3,-1.1 -1,-0.2 -4,-0.9 3,-0.2 0.138 77.0 80.9 -85.1 15.9 23.0 15.2 1.3 114 114 A F <> + 0 0 35 -3,-1.2 4,-2.4 1,-0.1 -1,-0.2 -0.554 56.8 147.0-111.7 46.1 24.9 12.8 -1.0 115 115 A T H > + 0 0 73 1,-0.2 4,-2.1 2,-0.2 -1,-0.1 0.895 65.9 50.4 -55.3 -49.8 21.6 11.2 -1.9 116 116 A N H > S+ 0 0 78 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.909 111.4 47.3 -59.6 -43.0 22.6 10.4 -5.4 117 117 A S H > S+ 0 0 1 1,-0.2 4,-2.6 2,-0.2 -2,-0.2 0.895 109.8 55.5 -63.8 -38.9 25.8 8.7 -4.4 118 118 A M H X S+ 0 0 14 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.867 105.5 51.4 -62.0 -41.3 24.0 6.8 -1.7 119 119 A R H X S+ 0 0 140 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.942 112.4 45.8 -61.0 -44.6 21.6 5.4 -4.2 120 120 A M H <>S+ 0 0 30 -4,-1.7 5,-2.6 1,-0.2 -2,-0.2 0.845 111.5 52.7 -64.6 -38.4 24.5 4.2 -6.4 121 121 A M H ><5S+ 0 0 2 -4,-2.6 3,-1.8 3,-0.2 -1,-0.2 0.922 107.2 51.1 -63.5 -44.5 26.2 2.9 -3.5 122 122 A Q H 3<5S+ 0 0 95 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.893 110.8 49.2 -63.2 -29.7 23.1 0.9 -2.5 123 123 A Q T 3<5S- 0 0 89 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.431 113.9-120.7 -81.0 -4.5 23.0 -0.5 -6.0 124 124 A K T < 5 + 0 0 100 -3,-1.8 2,-1.4 -4,-0.2 -3,-0.2 0.775 61.7 148.0 66.8 35.3 26.6 -1.4 -5.9 125 125 A R >< + 0 0 110 -5,-2.6 4,-2.3 1,-0.2 -1,-0.2 -0.733 19.1 172.2-100.4 79.1 27.5 0.7 -8.8 126 126 A W H > + 0 0 37 -2,-1.4 4,-1.9 2,-0.2 -1,-0.2 0.860 66.8 47.4 -57.3 -56.2 30.9 1.5 -7.4 127 127 A D H > S+ 0 0 106 1,-0.2 4,-2.3 -3,-0.2 5,-0.2 0.963 115.7 48.2 -60.3 -37.7 32.7 3.3 -10.3 128 128 A E H > S+ 0 0 99 1,-0.3 4,-2.7 2,-0.2 -2,-0.2 0.916 110.0 47.7 -66.0 -51.6 29.7 5.5 -10.8 129 129 A A H X S+ 0 0 0 -4,-2.3 4,-2.7 2,-0.2 -1,-0.3 0.848 110.3 56.5 -55.4 -35.8 29.3 6.4 -7.2 130 130 A A H X S+ 0 0 11 -4,-1.9 4,-1.2 2,-0.2 -2,-0.2 0.928 108.0 46.5 -61.7 -41.1 33.0 7.2 -7.1 131 131 A V H >X S+ 0 0 102 -4,-2.3 4,-0.6 1,-0.2 3,-0.5 0.961 113.9 49.4 -66.0 -46.5 32.6 9.6 -10.0 132 132 A N H >< S+ 0 0 41 -4,-2.7 3,-1.1 1,-0.2 -2,-0.2 0.879 105.2 55.0 -59.6 -41.7 29.7 11.2 -8.2 133 133 A L H 3< S+ 0 0 2 -4,-2.7 6,-0.4 1,-0.2 -1,-0.2 0.863 100.9 60.9 -67.0 -24.7 31.3 11.6 -4.9 134 134 A A H << S+ 0 0 27 -4,-1.2 2,-1.7 -3,-0.5 -1,-0.2 0.671 85.2 77.8 -76.2 -14.8 34.1 13.6 -6.4 135 135 A K S << S+ 0 0 171 -3,-1.1 2,-0.3 -4,-0.6 -1,-0.2 -0.614 82.0 100.9 -88.9 68.1 31.8 16.3 -7.7 136 136 A S S > S- 0 0 17 -2,-1.7 4,-1.9 1,-0.1 5,-0.2 -0.999 85.1-117.8-154.9 152.2 31.6 17.8 -4.3 137 137 A R H > S+ 0 0 151 -2,-0.3 4,-2.2 1,-0.2 5,-0.2 0.894 114.0 63.5 -60.1 -38.2 32.9 20.6 -2.3 138 138 A W H > S+ 0 0 17 1,-0.2 4,-2.3 2,-0.2 8,-0.2 0.936 104.7 43.3 -50.3 -43.7 34.4 17.9 -0.0 139 139 A Y H 4 S+ 0 0 58 -6,-0.4 -1,-0.2 1,-0.2 -2,-0.2 0.884 113.0 52.9 -74.2 -38.2 36.6 16.5 -2.7 140 140 A N H < S+ 0 0 108 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.805 115.6 39.8 -61.4 -36.8 37.6 20.1 -3.9 141 141 A Q H < S+ 0 0 102 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.839 131.3 20.8 -82.6 -45.1 38.7 21.1 -0.4 142 142 A T S X S+ 0 0 21 -4,-2.3 4,-2.4 -5,-0.2 -1,-0.2 -0.659 74.0 160.5-127.7 69.8 40.4 18.1 0.9 143 143 A P H > + 0 0 48 0, 0.0 4,-2.5 0, 0.0 5,-0.1 0.830 66.7 52.9 -62.4 -43.9 41.2 16.2 -2.1 144 144 A N H > S+ 0 0 117 2,-0.2 4,-1.5 1,-0.2 5,-0.1 0.949 116.7 40.5 -63.5 -40.9 44.0 13.8 -0.9 145 145 A R H > S+ 0 0 21 2,-0.2 4,-2.1 1,-0.2 3,-0.4 0.949 112.7 54.6 -70.5 -48.1 41.8 12.6 1.9 146 146 A A H X S+ 0 0 0 -4,-2.4 4,-2.6 1,-0.3 5,-0.2 0.907 108.4 50.9 -50.1 -43.8 38.7 12.5 -0.3 147 147 A K H X S+ 0 0 102 -4,-2.5 4,-2.4 1,-0.2 -1,-0.3 0.830 106.7 53.1 -63.6 -41.1 40.6 10.3 -2.8 148 148 A R H X S+ 0 0 69 -4,-1.5 4,-1.3 -3,-0.4 -1,-0.2 0.898 114.0 42.4 -58.9 -44.5 41.6 7.9 -0.1 149 149 A V H X S+ 0 0 0 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.936 113.5 51.1 -67.2 -46.8 38.0 7.4 1.0 150 150 A I H X S+ 0 0 14 -4,-2.6 4,-2.7 1,-0.2 -2,-0.2 0.890 109.3 51.6 -60.4 -41.7 36.6 7.2 -2.5 151 151 A T H X S+ 0 0 36 -4,-2.4 4,-2.6 1,-0.2 6,-0.4 0.852 109.2 50.6 -62.5 -38.1 39.1 4.6 -3.4 152 152 A T H X S+ 0 0 0 -4,-1.3 4,-2.3 2,-0.2 -2,-0.2 0.901 112.6 46.2 -64.5 -43.6 38.1 2.6 -0.4 153 153 A M H < S+ 0 0 3 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.923 115.3 46.3 -61.9 -48.0 34.5 2.9 -1.4 154 154 A R H < S+ 0 0 90 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.926 123.7 29.7 -58.7 -51.3 35.1 2.0 -4.9 155 155 A T H < S- 0 0 43 -4,-2.6 -2,-0.2 2,-0.2 -1,-0.2 0.592 86.4-136.2 -90.3 -23.5 37.4 -1.0 -4.4 156 156 A G S < S+ 0 0 16 -4,-2.3 2,-0.2 -5,-0.3 -62,-0.2 0.697 72.4 105.0 71.8 15.3 36.3 -2.4 -1.1 157 157 A T S S- 0 0 46 -6,-0.4 3,-0.4 -5,-0.2 -1,-0.2 -0.817 78.0-122.9-124.4 170.4 40.0 -2.8 -0.2 158 158 A W S >> S+ 0 0 44 -2,-0.2 3,-2.4 1,-0.2 4,-0.6 0.240 71.3 121.1 -96.1 19.5 42.5 -0.9 2.1 159 159 A D G >4 + 0 0 90 1,-0.3 3,-1.4 2,-0.2 -1,-0.2 0.829 65.5 58.0 -53.2 -42.3 44.9 -0.2 -0.7 160 160 A A G 34 S+ 0 0 36 -3,-0.4 -1,-0.3 1,-0.3 -2,-0.1 0.631 109.7 46.2 -62.9 -15.9 44.8 3.6 -0.4 161 161 A Y G <4 0 0 20 -3,-2.4 -1,-0.3 -13,-0.1 -2,-0.2 0.546 360.0 360.0-105.0 -3.8 45.9 3.4 3.1 162 162 A K << 0 0 183 -3,-1.4 -2,-0.1 -4,-0.6 -3,-0.1 0.838 360.0 360.0 -93.3 360.0 48.8 0.8 2.6